2-Chloroethyl stearate
Basic information
- CAS
1119-75-1- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCCl- InChIKey
QLBIYHGOHHPBCC-UHFFFAOYSA-N- Molecular formula
- C20H39ClO2
- Average molar mass
- 347 g/mol
- Monoisotopic mass
- 346.2638582
Overview
RN given from Toxlit
Names & identifiers
- Preferred name
- 2-Chloroethyl stearate
- IUPAC
- 2-chloroethyl octadecanoate
- English name
- 2-chloroethyl stearate
- Molecular formula
- C20H39ClO2
- Molecular weight
- 346.98
Names & synonyms
2-Chloroethyl stearate1119-75-1Octadecanoic acid, 2-chloroethyl ester3BR0460WU5DTXSID2074451RefChem:909739DTXCID00332512-chloroethyl octadecanoate2-chloroethylstearateMFCD06252457C20H39ClO2UNII-3BR0460WU5
Show more names
Octadecanoic acid,2-chloroethyl ester
AI3-03512SCHEMBL5318935QLBIYHGOHHPBCC-UHFFFAOYSA-N.BETA.-CHLOROETHYL STEARATESBB061383AKOS024390976ETHANOL, 2-CHLORO-, STEARATEAS-57647
Database identifiers
- CAS
1119-75-1- PubChem CID
- 70707
- DTXSID
DTXSID2074451- UNII
- 3BR0460WU5
- Nikkaji
- J265.120C
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Food AdditivesFood -> chlorinated lipid
Physicochemical properties
- Melting point
- 48.5 °C · 48.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 425.2 · 425.2±18.0 °C(Predicted)
- Density
- 0.9049 g/cm3 · 0.9049 g/cm3(Temp: 49.5 °C)
- storage temp.
- Sealed in dry,Room Temperature
- FDA UNII
- 3 BR0460WU5 · 3BR0460WU5
- EPA Substance Registry System
- 2 · Octadecanoic acid, 2-chloroethyl ester (1119-75-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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